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Substance Name: Docosanol [USAN]
RN: 661-19-8
UNII: 9G1OE216XY
InChIKey: NOPFSRXAKWQILS-UHFFFAOYSA-N

Classification Codes

  • Anti-Infective Agents
  • Antiviral Agents
  • Antiviral used in the Treatment of Herpes Simplex Labialis

Molecular Formula

  • C22-H46-O

Molecular Weight

  • 326.604
 
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Names and Synonyms

Name of Substance

  • 1-Docosanol
  • Behenyl alcohol
  • Docosanol
  • Docosanol [USAN]

Synonyms

  • 1-Docosanol
  • 4-01-00-01906 (Beilstein Handbook Reference)
  • Abreva
  • AI3-36489
  • Behenic alcohol
  • Behenyl alcohol
  • BRN 1770470
  • CCRIS 8943
  • Docosanol
  • Docosyl alcohol
  • EC 211-546-6
  • EINECS 211-546-6
  • HSDB 5739
  • IK 2
  • Lanette 22
  • Lidavol
  • n-Docosanol
  • NAA 422
  • Nacol 22-97
  • NSC 8407
  • Stenol 1822
  • Stenol 1822A
  • Tadenan
  • UNII-9G1OE216XY

Systematic Names

  • 1-Docosanol
  • Docosan-1-ol

Superlist Names

  • 1-Docosanol
  • Behenyl alcohol

Registry Numbers

CAS Registry Number

  • 661-19-8

FDA UNII

  • 9G1OE216XY

System Generated Number

  • 0000661198

Structure Descriptors

InChI

InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3

InChIKey

NOPFSRXAKWQILS-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Drugs of the Future. Vol. 17, Pg. 879, 1992.
mouse LD50 intravenous > 800mg/kg (800mg/kg)   Drugs of the Future. Vol. 17, Pg. 879, 1992.
mouse LD50 subcutaneous > 800mg/kg (800mg/kg)   Drugs of the Future. Vol. 17, Pg. 879, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 72.5 deg C   EXP
log P (octanol-water) 9.680 (none)   EST
Atmospheric OH Rate Constant 3.23E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.